SCHEMBL2733002

SCHEMBL2733002

CC(C)(C)N1CCN(CC2OCCc3c2ccc(F)c3C#N)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 10/20 0.37
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
DRD1 P21728 3/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10286951 0.84 KCNJ1 (0.40) KCNJ1KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL2733015 0.83 KCNJ1 (0.39) KCNJ1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2733687 0.83 GPR119 (0.39)
SCHEMBL2733149 0.80 KCNJ1 (0.35) KCNJ1TAAR1DRD1
SCHEMBL299486 0.77 KCNJ1 (0.38) KCNJ1TAAR1DRD1
SCHEMBL2897011 0.73 KCNJ1 (0.42) KCNJ1KDM4EALDH1A1TAAR1DRD1
SCHEMBL4549724 0.72 KCNJ1 (0.58) KCNJ1
SCHEMBL4549586 0.70 KCNJ1 (0.60) KCNJ1
SCHEMBL4549585 0.70 KCNJ1 (0.60) KCNJ1
SCHEMBL2732158 0.67 GPR119 (0.42) KCNJ1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed